SCHEMBL2178309

SCHEMBL2178309

CN(C)c1nc(CO)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ CYP2D6 P10635 10/20 0.51
▸ CYP1A2 P05177 9/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ CYP3A4 P08684 7/20 0.51
▸ TSHR P16473 6/20 0.51
▸ CYP2C19 P33261 5/20 0.51
▸ CYP2C9 P11712 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ GLA P06280 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CLK4 Q9HAZ1 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15457190 0.84 SMN1; SMN2 (0.56) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL638079 0.83 SMN1; SMN2 (0.54) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL12409984 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL2186212 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL2182238 0.77 ALDH1A1 (0.48) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL3119165 0.77 EGFR (0.68) PDE5A
SCHEMBL13458340 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL16432784 0.77 GPR3 (0.53) SMN1; SMN2CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL1620437 0.74 NUDT1 (0.62) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1
SCHEMBL12261791 0.74 SMN1; SMN2 (0.61) SMN1; SMN2HTTCYP2D6CYP1A2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 — — EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — WO disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B SMN1; SMN2 3000/4885HTT 3952/4885CYP2D6 379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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